tripropyl borate

• ChemBase ID: 146168
• Molecular Formular: C9H21BO3
• Molecular Mass: 188.07224
• Monoisotopic Mass: 188.15837493
• SMILES: B(OCCC)(OCCC)OCCC
• Canonical SMILES: CCCOB(OCCC)OCCC
• InChI: InChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
• InChIKey: LTEHWCSSIHAVOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tripropyl borate
• IUPAC Traditional name: tripropyl borate
• Synonyms: n-Propyl borate; Tri-n-propyl borate; Boron propoxide; Tripropyl borate; 三(丙氧)硼; 硼酸三丙酯

Database IDs

• CAS Number: 688-71-1
• EC Number: 211-703-9
• MDL Number: MFCD00009366
• PubChem SID: 162240367; 24853464
• PubChem CID: 12711

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1084
• LogD (pH = 7.4): 4.1084
• Log P: 4.1084
• Molar Refractivity: 48.9585 cm^3
• Polarizability: 21.366205 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in organic solvents. Decomposes in water
• Apperance: liquid; Liquid
• Boiling Point: 175-177 °C(lit.); 175-177°C
• Flash Point: 32 °C; 32°C(90°F); 89.6 °F
• Density: 0.857 g/mL at 25 °C(lit.); 0.861
• Refractive Index: 1.3950; n20/D 1.395(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: ED5785000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN3272
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-36/37/38
• Safety Statements: 16-33; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335-H303
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: (CH3CH2CH2O)3B

DETAILS

Sigma Aldrich - 224928

Packaging
80 g in Sure/Seal™